4-[4-(4-fluorophenyl)piperazin-1-yl]-6-(4-methoxyphenoxy)-5-nitro-pyrimidine

Systemtic Name: 4-[4-(4-fluorophenyl)piperazin-1-yl]-6-(4-methoxyphenoxy)-5-nitro-pyrimidine Openeye Name: 4-[4-(4-fluorophenyl)piperazin-1-yl]-6-(4-methoxyphenoxy)-5-nitro-pyrimidine CAS Name: 4-[4-(4-fluorophenyl)-1-piperazinyl]-6-(4-methoxyphenoxy)-5-nitropyrimidine IUPAC Name: 4-[4-(4-fluorophenyl)piperazin-1-yl]-6-(4-methoxyphenoxy)-5-nitropyrimidine Traditional Name: 4-[4-(4-fluorophenyl)piperazino]-6-(4-methoxyphenoxy)-5-nitro-pyrimidine Formula: C21H20FN5O4 MolecularWeight: 425.413003

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

COC1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H20FN5O4/c1-30-17-6-8-18(9-7-17)31-21-19(27(28)29)20(23-14-24-21)26-12-10-25(11-13-26)16-4-2-15(22)3-5-16/h2-9,14H,10-13H2,1H3